SCHEMBL8010983

SCHEMBL8010983

CCc1cn(-c2nc(-c3cccc4[nH]ccc34)nc(N3CCOCC3)n2)c(CC)n1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.74
MTOR P42345 11/20 0.74
ATR Q13535 8/20 0.51
PRKDC P78527 1/20 0.51
PIK3R1 P27986 1/20 0.51
PIK3CD O00329 3/20 0.46
PIK3CB P42338 2/20 0.45
PIK3CG P48736 2/20 0.45
PARP1 P09874 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8009131 0.94 PIK3CA (0.71) PIK3CAMTORATRPRKDCPIK3R1
SCHEMBL8008915 0.91 PIK3CA (0.74) PIK3CAMTORATRPRKDCPIK3R1
SCHEMBL8008529 0.88 PIK3CA (0.70) PIK3CAMTORATRPRKDCPIK3R1
SCHEMBL8008722 0.87 PIK3CA (0.69) PIK3CAMTORATRPRKDCPIK3R1
SCHEMBL8008189 0.85 PIK3CA (1.00) PIK3CAMTORATRPRKDCPIK3R1
SCHEMBL8009768 0.84 PIK3CA (0.63) PIK3CAMTORATRPRKDCPIK3R1
SCHEMBL7999865 0.84 PIK3CA (0.70) PIK3CAMTORATRPRKDCPIK3R1
SCHEMBL1309409 0.84 PIK3CA (0.70) PIK3CAMTORATRPRKDCPIK3R1
SCHEMBL4024843 0.83 PIK3CA (0.66) PIK3CAMTORATRPRKDCPIK3R1
SCHEMBL8008521 0.82 PIK3CA (0.60) PIK3CAMTORATRPRKDCPIK3R1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009093981-A1 TRIAZINE COMPOUNDS AS KINASE INHIBITORS S BIO PTE LTD (SG) 2009-07-30 WO disclosed